Molecule
ID:53559
General Information
Molecular Formula
C₆H₁₂Cl₂
Molecular Mass
155.06548
Exact Mass
154.03160574
Charge
0
InChI
InChI=1S/C6H12Cl2/c1-2-6(8)4-3-5-7/h6H,2-5H2,1H3
InChIKey
QUBRHRAWRVZUFZ-UHFFFAOYSA-N
Canonic Smiles
ClCCCC(CC)Cl
Isomeric Smiles
ClC(CC)CCCCl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0169244
LogD (pH = 7.4)
3.0169244
Log P
3.0169244
Molar Refractivity
39.1084
Polarizability
15.444749
Polar Surface Area
0.0
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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